4-([1]benzofuro[2,3-b]pyridin-7-yl)-N,N-bis[4-(1,5-naphthyridin-3-yl)phenyl]aniline

C45H28N6O — CID 168765872

IUPAC4-([1]benzofuro[2,3-b]pyridin-7-yl)-N,N-bis[4-(1,5-naphthyridin-3-yl)phenyl]aniline
SMILESc1cnc2cc(-c3ccc(N(c4ccc(-c5cnc6cccnc6c5)cc4)c4ccc(-c5ccc6c(c5)oc5ncccc56)cc4)cc3)cnc2c1
InChIInChI=1S/C45H28N6O/c1-4-39-38-20-13-32(26-44(38)52-45(39)48-23-1)29-7-14-35(15-8-29)51(36-16-9-30(10-17-36)33-24-42-40(49-27-33)5-2-21-46-42)37-18-11-31(12-19-37)34-25-43-41(50-28-34)6-3-22-47-43/h1-28H
InChIKeyXYZXVJXBINMZSQ-UHFFFAOYSA-N
MW668.76 g/mol
LogP11.34
Rot. Bonds6

About 4-([1]benzofuro[2,3-b]pyridin-7-yl)-N,N-bis[4-(1,5-naphthyridin-3-yl)phenyl]aniline

4-([1]benzofuro[2,3-b]pyridin-7-yl)-N,N-bis[4-(1,5-naphthyridin-3-yl)phenyl]aniline (PubChem CID 168765872) has the molecular formula C45H28N6O and a molecular weight of 668.76 g/mol. Its IUPAC name is 4-([1]benzofuro[2,3-b]pyridin-7-yl)-N,N-bis[4-(1,5-naphthyridin-3-yl)phenyl]aniline.

Molecular Properties

Compound Name4-([1]benzofuro[2,3-b]pyridin-7-yl)-N,N-bis[4-(1,5-naphthyridin-3-yl)phenyl]aniline
PubChem CID168765872
Molecular FormulaC45H28N6O
Molecular Weight668.76 g/mol
Exact Mass668.23
IUPAC Name4-([1]benzofuro[2,3-b]pyridin-7-yl)-N,N-bis[4-(1,5-naphthyridin-3-yl)phenyl]aniline
SMILESc1cnc2cc(-c3ccc(N(c4ccc(-c5cnc6cccnc6c5)cc4)c4ccc(-c5ccc6c(c5)oc5ncccc56)cc4)cc3)cnc2c1
InChIInChI=1S/C45H28N6O/c1-4-39-38-20-13-32(26-44(38)52-45(39)48-23-1)29-7-14-35(15-8-29)51(36-16-9-30(10-17-36)33-24-42-40(49-27-33)5-2-21-46-42)37-18-11-31(12-19-37)34-25-43-41(50-28-34)6-3-22-47-43/h1-28H
InChIKeyXYZXVJXBINMZSQ-UHFFFAOYSA-N
XLogP11.34
TPSA80.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.76
LogP ≤ 511.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-([1]benzofuro[2,3-b]pyridin-7-yl)-N,N-bis[4-(1,5-naphthyridin-3-yl)phenyl]aniline with MolForge

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Related Compounds

N-[4-([1]benzofuro[2,3-b]pyridin-3-yl)phenyl]-4-dibenzofuran-3-yl-N-(4-dibenzofuran-3-ylphenyl)aniline
CID 168765502
N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-4-(8-oxa-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl)aniline
CID 168765489
4-([1]benzofuro[2,3-b]pyridin-2-yl)-N,N-bis(4-quinolin-3-ylphenyl)aniline
CID 168765379
N-[4-([1]benzofuro[3,2-c]pyridin-3-yl)phenyl]-4-quinoxalin-6-yl-N-(4-quinoxalin-6-ylphenyl)aniline
CID 168765765
[4-[3-[4-([1]benzofuro[2,3-b]pyridin-6-yl)phenyl]quinolin-7-yl]phenyl]phosphane
CID 170291710
7-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 166802118
7-(3-chlorophenyl)-[1]benzofuro[2,3-b]pyridine
CID 155173552
4-([1]benzofuro[2,3-b]pyridin-2-yl)-N,N-bis[4-(1,7-naphthyridin-6-yl)phenyl]aniline
CID 168765452
4-([1]benzofuro[2,3-b]pyridin-2-yl)-N,N-bis[4-(1,6-naphthyridin-7-yl)phenyl]aniline
CID 168765499
2-phenyl-[1]benzofuro[2,3-b]pyridine;3-phenyl-[1]benzofuro[3,2-b]pyridine;7-phenyl-[1]benzofuro[2,3-b]pyridine
CID 160907375
N-[4-([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 168738216
N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 118186800

Frequently Asked Questions

What is the IUPAC name of 4-([1]benzofuro[2,3-b]pyridin-7-yl)-N,N-bis[4-(1,5-naphthyridin-3-yl)phenyl]aniline?
The IUPAC name of 4-([1]benzofuro[2,3-b]pyridin-7-yl)-N,N-bis[4-(1,5-naphthyridin-3-yl)phenyl]aniline (CID 168765872) is 4-([1]benzofuro[2,3-b]pyridin-7-yl)-N,N-bis[4-(1,5-naphthyridin-3-yl)phenyl]aniline.
What is the SMILES notation for 4-([1]benzofuro[2,3-b]pyridin-7-yl)-N,N-bis[4-(1,5-naphthyridin-3-yl)phenyl]aniline?
The canonical SMILES for 4-([1]benzofuro[2,3-b]pyridin-7-yl)-N,N-bis[4-(1,5-naphthyridin-3-yl)phenyl]aniline is c1cnc2cc(-c3ccc(N(c4ccc(-c5cnc6cccnc6c5)cc4)c4ccc(-c5ccc6c(c5)oc5ncccc56)cc4)cc3)cnc2c1.
What is the InChIKey of 4-([1]benzofuro[2,3-b]pyridin-7-yl)-N,N-bis[4-(1,5-naphthyridin-3-yl)phenyl]aniline?
The InChIKey is XYZXVJXBINMZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N6O/c1-4-39-38-20-13-32(26-44(38)52-45(39)48-23-1)29-7-14-35(15-8-29)51(36-16-9-30(10-17-36)33-24-42-40(49-27-33)5-2-21-46-42)37-18-11-31(12-19-37)34-25-43-41(50-28-34)6-3-22-47-43/h1-28H.
What are the key properties of 4-([1]benzofuro[2,3-b]pyridin-7-yl)-N,N-bis[4-(1,5-naphthyridin-3-yl)phenyl]aniline?
4-([1]benzofuro[2,3-b]pyridin-7-yl)-N,N-bis[4-(1,5-naphthyridin-3-yl)phenyl]aniline has a molecular weight of 668.76 g/mol, XLogP of 11.34, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-([1]benzofuro[2,3-b]pyridin-7-yl)-N,N-bis[4-(1,5-naphthyridin-3-yl)phenyl]aniline is sourced from PubChem (CID 168765872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).